[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(2,4-dichloroanilino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(2,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(2,4-dichloroanilino)-2-keto-ethyl] ester Formula: C16H13Cl2N3O5 MolecularWeight: 398.19752

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H13Cl2N3O5/c1-19-13-5-3-10(21(24)25)7-11(13)16(23)26-8-15(22)20-14-4-2-9(17)6-12(14)18/h2-7,19H,8H2,1H3,(H,20,22)